SCHEMBL7209932

SCHEMBL7209932

CC(CC(=O)O)c1cccc(C(=O)c2ccccc2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 4/20 0.64
PTGS2 P35354 4/20 0.64
MAPT P10636 4/20 0.64
ALDH1A1 P00352 3/20 0.64
CXCR1 P25024 2/20 0.64
CXCR2 P25025 2/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
LMNA P02545 2/20 0.64
CYP3A4 P08684 2/20 0.64
RECQL P46063 1/20 0.64
KDM4E B2RXH2 1/20 0.64
HPGD P15428 1/20 0.64
MAPK1 P28482 1/20 0.64
PMP22 Q01453 1/20 0.64
SLC22A6 Q4U2R8 1/20 0.64
HSD17B10 Q99714 1/20 0.64
CXCL8 P10145 1/20 0.64
THPO P40225 1/20 0.64
HIF1A Q16665 1/20 0.64
ATM Q13315 1/20 0.53

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7357638 0.87 ANPEP (0.54) PTGS1PTGS2MAPTALDH1A1CXCR1
SCHEMBL11138504 0.85 PTGS1 (0.66) PTGS1PTGS2MAPTALDH1A1CXCR1
SCHEMBL14201846 0.85 PTGS1 (0.66) PTGS1PTGS2MAPTALDH1A1CXCR1
SCHEMBL11850012 0.84 PTGS1 (0.60) PTGS1PTGS2MAPTALDH1A1CXCR1
SCHEMBL11850747 0.83 PTGS1 (0.59) PTGS1PTGS2MAPTALDH1A1CXCR1
SCHEMBL27536953 0.81 PTGS1 (0.60) PTGS1PTGS2MAPTALDH1A1CXCR1
SCHEMBL16091082 0.81 PTGS1 (0.60) PTGS1PTGS2MAPTALDH1A1CXCR1
SCHEMBL764365 0.81 MAPT (0.74) PTGS1PTGS2MAPTALDH1A1CXCR1
SCHEMBL237090 0.80 FFAR1 (0.70) MAPTALDH1A1CYP3A4HPGDFFAR1
SCHEMBL1149768 0.80 FFAR1 (0.70) MAPTALDH1A1CYP3A4HPGDFFAR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6610875-B1 Forming bidentate ligands ofr assymetric catalysts; bromina-ting diaryldiol; esterifying with sulfonic acid; substituting cyano for bromine groups; coupling with a dicyclophosphine RHODIA CHIMIE (FR) 2003-08-26 US disclosed